Optimization of supercritical CO₂ extraction, characterization, and fragrance-enhancing effect of volatiles from lightly roasted Wuyi rock tea.

Lightly roasted Wuyi rock tea (WRT) is a potential source of tea-derived aroma ingredients. This study optimized ethanol-assisted SC-CO₂ extraction of WRT volatiles using single-factor experiments and response surface methodology. The practical optimized conditions were 50 °C, 58 min, 150 mL entrainer, 20 MPa, and 20 L/h CO₂ flow. Five WRT extracts (WRTEs) were then prepared and characterized by E-nose, GC × GC-QTOFMS, multivariate analysis, estimated OAVs, and molecular docking. The estimated relative retention of VOC-equivalent signals ranged from 40.83% to 54.01%. In total, 275 VOCs were putatively identified, and 34 putative key aroma contributors, mainly related to floral and fruity notes, were screened. Molecular docking provided preliminary in silico evidence for potential interactions with olfactory receptors. In the tested commercial perfume matrix, 0.40% RG-E enhanced floral, sweet, and fresh notes, suggesting its preliminary fragrance-modifying potential.